(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(4-nitrophenyl)methoxy]methanimine
Formula:C15H12N2O4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-[4-(difluoromethoxy)phenyl]-N-[(4-nitrophenyl)methoxy]methanimine is a drug-like molecule.
| MolName | (Z)-1-[4-(difluoromethoxy)phenyl]-N-[(4-nitrophenyl)methoxy]methanimine |
| MolecularFormula | C15H12N2O4F2 |
| Smiles | [O-][N+](c1ccc(CO/N=C\c(cc2)ccc2OC(F)F)cc1)=O |
| InChI | InChI=1S/C15H12F2N2O4/c16-15(17)23-14-7-3-11(4-8-14)9-18-22-10-12-1-5-13(6-2-12)19(20)21/h1-9,15H,10H2 |
| InChIK | ZBTKWMJHJHDUID-UHFFFAOYSA-N |
| TotalMolweight | 322.266 |
| Molweight | 322.266 |
| MonoisotopicMass | 322.076514 |
| CLogP | 3.0835 |
| CLogS | -4.724 |
| H Acceptors | 6 |
| TotalSurfaceArea | 240.41 |
| Relative PSA | 0.2576 |
| PolarSurfaceArea | 76.64 |
| Druglikeness | -7.7825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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